Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 83] |
-1.351350309405797e+01 |
-1.351350309405791e+01 |
3.000000000000000e-13 |
-6.217248937900877e-14 |
PASS |
Energy [step 103] |
-1.351351009473391e+01 |
-1.351351009473370e+01 |
4.500000000000000e-13 |
-2.131628207280301e-13 |
PASS |
Multipoles [step 83] |
6.218975444167491e-04 |
6.218975443429170e-04 |
3.000000000000000e-13 |
7.383210796213513e-14 |
PASS |
Multipoles [step 103] |
3.990050594301730e-03 |
3.990050594276555e-03 |
3.000000000000000e-13 |
2.517517444511341e-14 |
PASS |